1,2-Dichloroethane → 5-(4-fluorophenyl)-1-(3-hydroxy-3-methylbutan-2-yl)-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-6-oxopyridine-3-carboxamide

HRID 690350Notes

Reaction equation

HRID 690350 reaction equation
[CH2:36]([Cl:37])[CH2:38][Cl:39].[CH3:27][c:28]1[n:29][o:30][c:31]([CH:33]([CH3:34])[NH2:35])[n:32]1.[CH3:50][N:51]1[CH2:52][CH2:53][O:54][CH2:55][CH2:56]1.[CH3:57][N:58]([CH3:59])[CH:60]=[O:61].[Cl-:2].[ClH:26].[F:3][c:4]1[cH:5][cH:6][c:7](-[c:10]2[cH:11][c:12]([C:23](=[O:24])[OH:25])[cH:13][n:14]([CH:17]([CH3:18])[C:19]([CH3:20])([CH3:21])[OH:22])[c:15]2=[O:16])[cH:8][cH:9]1.[Na+:1].[OH2:62].[OH:40][n:41]1[c:42]2[n:43][cH:44][cH:45][cH:46][c:47]2[n:48][n:49]1>>[F:3][c:4]1[cH:5][cH:6][c:7](-[c:10]2[cH:11][c:12]([C:23](=[O:25])[NH:35][CH:33]([c:31]3[o:30][n:29][c:28]([CH3:27])[n:32]3)[CH3:34])[cH:13][n:14]([CH:17]([CH3:18])[C:19]([CH3:20])([CH3:21])[OH:22])[c:15]2=[O:16])[cH:8][cH:9]1

Participants

11

Reactant 10

HCID 111,2-DichloroethaneHCID 312ChlorideHCID 313Hydrochloric AcidHCID 923Sodium ionHCID 962WaterHCID 6228DimethylformamideHCID 79724-MethylmorpholineHCID 181649HOAtHCID 431068281-(3-Methyl-1,2,4-oxadiazol-5-yl)ethanamineHCID 673376845-(4-Fluorophenyl)-1-(3-hydroxy-3-methylbutan-2-yl)-6-oxo-1,6-dihydropyridine-3-carboxylic acid

Product 1

HCID 751700205-(4-fluorophenyl)-1-(3-hydroxy-3-methylbutan-2-yl)-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-6-oxopyridine-3-carboxamide

Sources & evidence

ORD record
ord-d7945f6538a74857b84bab4272fdc5b7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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